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(E)-3-(dicyanomethyl)-5-phenyl-4-pentenoic acid ethyl ester
SpectraBase Compound ID 1Stot66d7cK
InChI InChI=1S/C16H16N2O2/c1-2-20-16(19)10-14(15(11-17)12-18)9-8-13-6-4-3-5-7-13/h3-9,14-15H,2,10H2,1H3/b9-8+
InChIKey NEPIWQUUYWJMSA-CMDGGOBGSA-N
Mol Weight 268.32 g/mol
Molecular Formula C16H16N2O2
Exact Mass 268.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLIcbzfGne9
Name (E)-3-(dicyanomethyl)-5-phenyl-4-pentenoic acid ethyl ester
Alternate Name(s) (E)-3-(dicyanomethyl)-5-phenyl-pent-4-enoic acid ethyl ester Ethyl (E)-3-(dicyanomethyl)-5-phenyl-pent-4-enoate
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Formula C16H16N2O2
InChI InChI=1S/C16H16N2O2/c1-2-20-16(19)10-14(15(11-17)12-18)9-8-13-6-4-3-5-7-13/h3-9,14-15H,2,10H2,1H3/b9-8+
InChIKey NEPIWQUUYWJMSA-CMDGGOBGSA-N
Molecular Weight 268.316 g/mol
SMILES C(#N)C(C#N)C(\C=C\c1ccccc1)CC(=O)OCC
SPLASH splash10-00or-0920000000-5927ce308a62b5baf2f9
Source of Spectrum F-53-2904-3
Wiley ID 800866